N-[(4-pentoxyphenyl)carbamothioyl]quinoxaline-6-carboxamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]quinoxaline-6-carboxamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]quinoxaline-6-carboxamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]quinoxaline-6-carboxamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]quinoxaline-6-carboxamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C21H22N4O2S/c1-2-3-4-13-27-17-8-6-16(7-9-17)24-21(28)25-20(26)15-5-10-18-19(14-15)23-12-11-22-18/h5-12,14H,2-4,13H2,1H3,(H2,24,25,26,28)